Monomers

Methyl acrylate

Identifiers

IUPAC name
methyl prop-2-enoate
InchI
InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3
InchI Key
BAPJBEWLBFYGME-UHFFFAOYSA-N
SMILES
COC(=O)C=C
Canonical SMILES
COC(=O)C=C
Isomeric SMILES
COC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.3454
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.2605    0.1764    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -0.4842    0.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0772    0.0407   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334    1.0836   -0.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644   -0.6031   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.0825   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304    0.6271   -0.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0758   -0.5848    0.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526    0.9965    0.9919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036   -1.5014    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255    0.8328   -1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037   -0.5011   -0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers